[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C23H27FN2O2 — CID 121499628

IUPAC[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2O)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C23H27FN2O2/c24-19-10-11-21(22(27)15-19)17-6-8-18(9-7-17)23(28)26-14-2-1-5-20(26)16-25-12-3-4-13-25/h6-11,15,20,27H,1-5,12-14,16H2
InChIKeyASUIRLINIAMJBO-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.29
Rot. Bonds4

About [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 121499628) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID121499628
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2O)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C23H27FN2O2/c24-19-10-11-21(22(27)15-19)17-6-8-18(9-7-17)23(28)26-14-2-1-5-20(26)16-25-12-3-4-13-25/h6-11,15,20,27H,1-5,12-14,16H2
InChIKeyASUIRLINIAMJBO-UHFFFAOYSA-N
XLogP4.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-bromo-3-fluorophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965285
[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 121499628) is [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2O)cc1)N1CCCCC1CN1CCCC1.
What is the InChIKey of [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ASUIRLINIAMJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-19-10-11-21(22(27)15-19)17-6-8-18(9-7-17)23(28)26-14-2-1-5-20(26)16-25-12-3-4-13-25/h6-11,15,20,27H,1-5,12-14,16H2.
What are the key properties of [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121499628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).